Project |
RUN |
System |
Guest |
Microstate |
CLONE |
Person |
dG1 (kT) |
dG1 sigma (kT) |
dG3 (kT) |
dG3 sigma (kT) |
dG_binding (RT) |
dG_binding sigma (RT) |
log10Kd |
log10Kd sigma |
RL WL-increment |
ns of RL simulation |
Included |
18433 |
59 |
RL_12 |
G8 |
1 |
0 |
Rob |
6.42 |
0.0 |
-207.80 |
8.04 |
-7.46 |
8.05 |
-3.24 |
3.50 |
0.0302 |
430.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
1 |
Rob |
6.42 |
0.0 |
-201.87 |
10.47 |
-1.55 |
10.48 |
-0.67 |
4.55 |
0.0302 |
300.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
2 |
Rob |
6.42 |
0.0 |
-205.51 |
6.56 |
-5.07 |
6.57 |
-2.20 |
2.86 |
0.0378 |
310.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
3 |
Rob |
6.42 |
0.0 |
-205.26 |
9.47 |
-5.13 |
9.48 |
-2.23 |
4.12 |
0.0242 |
360.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
4 |
Rob |
6.42 |
0.0 |
-205.41 |
8.95 |
-4.93 |
8.96 |
-2.14 |
3.89 |
0.0378 |
500.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
5 |
Rob |
6.42 |
0.0 |
-203.61 |
9.71 |
-3.18 |
9.72 |
-1.38 |
4.22 |
0.0302 |
420.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
6 |
Rob |
6.42 |
0.0 |
-202.22 |
8.92 |
-1.90 |
8.93 |
-0.82 |
3.88 |
0.0302 |
510.15 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
7 |
Rob |
6.42 |
0.0 |
-204.21 |
9.30 |
-4.05 |
9.31 |
-1.76 |
4.05 |
0.0302 |
420.2 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
8 |
Rob |
6.42 |
0.0 |
-203.28 |
9.09 |
-2.90 |
9.11 |
-1.26 |
3.96 |
0.0302 |
510.1 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
9 |
Rob |
6.42 |
0.0 |
-203.11 |
9.70 |
-2.66 |
9.71 |
-1.16 |
4.22 |
0.0302 |
370.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
10 |
Rob |
6.42 |
0.0 |
-201.95 |
9.98 |
-1.61 |
10.00 |
-0.70 |
4.34 |
0.0302 |
350.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
11 |
Rob |
6.42 |
0.0 |
-204.78 |
8.33 |
-4.55 |
8.36 |
-1.98 |
3.63 |
0.0378 |
380.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
12 |
Rob |
6.42 |
0.0 |
-204.66 |
8.71 |
-4.04 |
8.72 |
-1.75 |
3.79 |
0.0302 |
440.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
13 |
Rob |
6.42 |
0.0 |
-207.97 |
7.55 |
-7.78 |
7.58 |
-3.38 |
3.29 |
0.0242 |
440.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
14 |
Rob |
6.42 |
0.0 |
-203.81 |
8.24 |
-3.37 |
8.26 |
-1.46 |
3.59 |
0.0302 |
440.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
15 |
Rob |
6.42 |
0.0 |
-204.83 |
8.38 |
-4.49 |
8.40 |
-1.95 |
3.65 |
0.0242 |
450.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
16 |
Rob |
6.42 |
0.0 |
-208.26 |
7.33 |
-7.74 |
7.35 |
-3.36 |
3.19 |
0.0302 |
350.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
17 |
Rob |
6.42 |
0.0 |
-206.24 |
9.00 |
-5.88 |
9.01 |
-2.56 |
3.91 |
0.0378 |
300.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
18 |
Rob |
6.42 |
0.0 |
-205.66 |
8.61 |
-5.33 |
8.63 |
-2.31 |
3.75 |
0.0242 |
430.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
19 |
Rob |
6.42 |
0.0 |
-203.05 |
9.50 |
-2.78 |
9.51 |
-1.21 |
4.13 |
0.0302 |
320.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
20 |
Rob |
6.42 |
0.0 |
-204.13 |
10.24 |
-3.93 |
10.25 |
-1.71 |
4.45 |
0.0378 |
330.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
21 |
Rob |
6.42 |
0.0 |
-200.80 |
9.38 |
-0.53 |
9.40 |
-0.23 |
4.08 |
0.0302 |
280.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
22 |
Rob |
6.42 |
0.0 |
-207.31 |
8.49 |
-7.09 |
8.51 |
-3.08 |
3.69 |
0.0302 |
350.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
23 |
Rob |
6.42 |
0.0 |
-199.76 |
10.84 |
0.65 |
10.85 |
0.28 |
4.71 |
0.0242 |
420.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
24 |
Rob |
6.42 |
0.0 |
-204.87 |
9.75 |
-4.47 |
9.76 |
-1.94 |
4.24 |
0.0472 |
410.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
25 |
Rob |
6.42 |
0.0 |
-206.30 |
8.66 |
-6.13 |
8.69 |
-2.66 |
3.77 |
0.0472 |
210.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
26 |
Rob |
6.42 |
0.0 |
-203.56 |
11.43 |
-2.98 |
11.44 |
-1.30 |
4.97 |
0.0302 |
360.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
27 |
Rob |
6.42 |
0.0 |
-202.12 |
10.82 |
-1.66 |
10.83 |
-0.72 |
4.70 |
0.0378 |
200.05 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
28 |
Rob |
6.42 |
0.0 |
-204.18 |
9.72 |
-3.70 |
9.73 |
-1.60 |
4.23 |
0.0242 |
440.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
29 |
Rob |
6.42 |
0.0 |
-199.29 |
10.00 |
0.89 |
10.01 |
0.39 |
4.35 |
0.0472 |
250.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
30 |
Rob |
6.42 |
0.0 |
-202.70 |
9.99 |
-2.32 |
10.00 |
-1.01 |
4.34 |
0.0378 |
270.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
31 |
Rob |
6.42 |
0.0 |
-204.74 |
8.86 |
-4.41 |
8.88 |
-1.92 |
3.86 |
0.0472 |
320.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
32 |
Rob |
6.42 |
0.0 |
-205.23 |
9.00 |
-5.12 |
9.03 |
-2.22 |
3.92 |
0.0242 |
360.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
33 |
Rob |
6.42 |
0.0 |
-197.80 |
10.99 |
2.35 |
11.02 |
1.02 |
4.78 |
0.0590 |
190.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
34 |
Rob |
6.42 |
0.0 |
-205.95 |
9.15 |
-5.54 |
9.16 |
-2.41 |
3.98 |
0.0302 |
400.3 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
35 |
Rob |
6.42 |
0.0 |
-201.55 |
9.85 |
-1.26 |
9.85 |
-0.55 |
4.28 |
0.0302 |
480.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
36 |
Rob |
6.42 |
0.0 |
-203.83 |
9.83 |
-3.34 |
9.84 |
-1.45 |
4.28 |
0.0378 |
330.1 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
37 |
Rob |
6.42 |
0.0 |
-204.73 |
8.49 |
-4.38 |
8.51 |
-1.90 |
3.69 |
0.0302 |
410.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
38 |
Rob |
6.42 |
0.0 |
-201.98 |
9.23 |
-1.54 |
9.24 |
-0.67 |
4.01 |
0.0590 |
280.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
39 |
Rob |
6.42 |
0.0 |
-205.05 |
9.25 |
-4.78 |
9.28 |
-2.07 |
4.03 |
0.0242 |
430.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
40 |
Rob |
6.42 |
0.0 |
-202.23 |
10.73 |
-1.78 |
10.73 |
-0.77 |
4.66 |
0.0590 |
220.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
41 |
Rob |
6.42 |
0.0 |
-206.69 |
9.07 |
-6.37 |
9.08 |
-2.76 |
3.94 |
0.0472 |
250.2 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
42 |
Rob |
6.42 |
0.0 |
-204.46 |
9.94 |
-4.43 |
9.95 |
-1.93 |
4.32 |
0.0302 |
300.35 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
43 |
Rob |
6.42 |
0.0 |
-203.57 |
10.67 |
-3.22 |
10.69 |
-1.40 |
4.64 |
0.0378 |
370.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
44 |
Rob |
6.42 |
0.0 |
-207.61 |
7.49 |
-7.46 |
7.51 |
-3.24 |
3.26 |
0.0193 |
510.0 |
True |
18433 |
59 |
RL_12 |
G8 |
1 |
45 |
Rob |
6.42 |
0.0 |
-202.93 |
9.71 |
-2.55 |
9.73 |
-1.11 |
4.22 |
0.0302 |
300.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
46 |
Rob |
6.42 |
0.0 |
-204.35 |
9.83 |
-3.91 |
9.84 |
-1.70 |
4.27 |
0.0378 |
400.05 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
47 |
Rob |
6.42 |
0.0 |
-202.82 |
10.21 |
-2.49 |
10.23 |
-1.08 |
4.44 |
0.0378 |
360.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
48 |
Rob |
6.42 |
0.0 |
-206.73 |
6.86 |
-6.30 |
6.87 |
-2.73 |
2.98 |
0.0302 |
250.0 |
False |
18433 |
59 |
RL_12 |
G8 |
1 |
49 |
Rob |
6.42 |
0.0 |
-205.97 |
7.77 |
-5.72 |
7.79 |
-2.48 |
3.38 |
0.0242 |
350.0 |
True |
Project |
RUN |
System |
Guest |
Microstate |
CLONE |
Person |
dG2 (kT) |
dG2 sigma (kT) |
L WL-increment |
ns of L simulation |
Included |
18434 |
15 |
L |
G8 |
1 |
0 |
Rob |
193.92 |
0.41 |
0.0002 |
280.2 |
True |
18434 |
15 |
L |
G8 |
1 |
1 |
Rob |
193.91 |
0.33 |
0.0003 |
260.0 |
True |
18434 |
15 |
L |
G8 |
1 |
2 |
Rob |
194.02 |
0.41 |
0.0009 |
210.0 |
True |
18434 |
15 |
L |
G8 |
1 |
3 |
Rob |
193.72 |
0.50 |
0.0021 |
170.0 |
True |
18434 |
15 |
L |
G8 |
1 |
4 |
Rob |
194.07 |
0.47 |
0.0017 |
190.0 |
True |
18434 |
15 |
L |
G8 |
1 |
5 |
Rob |
194.01 |
0.50 |
0.0007 |
220.0 |
True |
18434 |
15 |
L |
G8 |
1 |
6 |
Rob |
193.91 |
0.57 |
0.0011 |
200.0 |
True |
18434 |
15 |
L |
G8 |
1 |
7 |
Rob |
193.75 |
0.52 |
0.0032 |
120.0 |
True |
18434 |
15 |
L |
G8 |
1 |
8 |
Rob |
193.96 |
0.58 |
0.0009 |
180.05 |
True |
18434 |
15 |
L |
G8 |
1 |
9 |
Rob |
194.03 |
0.54 |
0.0017 |
190.0 |
True |
18434 |
15 |
L |
G8 |
1 |
10 |
Rob |
193.92 |
0.56 |
0.0009 |
180.0 |
True |
18434 |
15 |
L |
G8 |
1 |
11 |
Rob |
193.82 |
0.67 |
0.0079 |
90.0 |
True |
18434 |
15 |
L |
G8 |
1 |
12 |
Rob |
194.21 |
0.41 |
0.0007 |
250.0 |
True |
18434 |
15 |
L |
G8 |
1 |
13 |
Rob |
193.78 |
0.61 |
0.0013 |
190.0 |
True |
18434 |
15 |
L |
G8 |
1 |
14 |
Rob |
194.03 |
0.62 |
0.0032 |
140.05 |
True |
18434 |
15 |
L |
G8 |
1 |
15 |
Rob |
193.92 |
0.58 |
0.0013 |
200.0 |
True |
18434 |
15 |
L |
G8 |
1 |
16 |
Rob |
194.11 |
0.46 |
0.0004 |
240.0 |
True |
18434 |
15 |
L |
G8 |
1 |
17 |
Rob |
193.94 |
0.48 |
0.0003 |
280.15 |
True |
18434 |
15 |
L |
G8 |
1 |
18 |
Rob |
193.92 |
0.52 |
0.0063 |
90.0 |
True |
18434 |
15 |
L |
G8 |
1 |
19 |
Rob |
193.85 |
0.51 |
0.0009 |
180.0 |
True |
18434 |
15 |
L |
G8 |
1 |
20 |
Rob |
193.78 |
0.41 |
0.0007 |
270.0 |
True |
18434 |
15 |
L |
G8 |
1 |
21 |
Rob |
193.85 |
0.54 |
0.0017 |
200.0 |
True |
18434 |
15 |
L |
G8 |
1 |
22 |
Rob |
193.80 |
0.46 |
0.0005 |
210.0 |
True |
18434 |
15 |
L |
G8 |
1 |
23 |
Rob |
193.99 |
0.57 |
0.0021 |
170.05 |
True |
18434 |
15 |
L |
G8 |
1 |
24 |
Rob |
193.99 |
0.49 |
0.0017 |
220.0 |
True |
18434 |
15 |
L |
G8 |
1 |
25 |
Rob |
193.75 |
0.69 |
0.0026 |
130.1 |
True |
18434 |
15 |
L |
G8 |
1 |
26 |
Rob |
194.17 |
0.44 |
0.0011 |
220.0 |
True |
18434 |
15 |
L |
G8 |
1 |
27 |
Rob |
194.05 |
0.38 |
0.0004 |
230.0 |
True |
18434 |
15 |
L |
G8 |
1 |
28 |
Rob |
194.07 |
0.47 |
0.0026 |
130.0 |
True |
18434 |
15 |
L |
G8 |
1 |
29 |
Rob |
193.76 |
0.58 |
0.0032 |
140.0 |
True |
18434 |
15 |
L |
G8 |
1 |
30 |
Rob |
193.97 |
0.55 |
0.0017 |
150.0 |
True |
18434 |
15 |
L |
G8 |
1 |
31 |
Rob |
193.92 |
0.53 |
0.0026 |
140.0 |
True |
18434 |
15 |
L |
G8 |
1 |
32 |
Rob |
193.70 |
0.76 |
0.0079 |
110.0 |
True |
18434 |
15 |
L |
G8 |
1 |
33 |
Rob |
193.74 |
0.73 |
0.0021 |
140.0 |
True |
18434 |
15 |
L |
G8 |
1 |
34 |
Rob |
194.00 |
0.43 |
0.0009 |
220.05 |
True |
18434 |
15 |
L |
G8 |
1 |
35 |
Rob |
193.87 |
0.35 |
0.0001 |
290.05 |
True |
18434 |
15 |
L |
G8 |
1 |
36 |
Rob |
194.07 |
0.44 |
0.0002 |
260.05 |
True |
18434 |
15 |
L |
G8 |
1 |
37 |
Rob |
193.94 |
0.47 |
0.0007 |
170.0 |
True |
18434 |
15 |
L |
G8 |
1 |
38 |
Rob |
194.02 |
0.42 |
0.0009 |
240.0 |
True |
18434 |
15 |
L |
G8 |
1 |
39 |
Rob |
193.86 |
0.76 |
0.0079 |
100.0 |
True |
18434 |
15 |
L |
G8 |
1 |
40 |
Rob |
194.03 |
0.34 |
0.0009 |
190.0 |
True |
18434 |
15 |
L |
G8 |
1 |
41 |
Rob |
193.91 |
0.54 |
0.0013 |
180.0 |
True |
18434 |
15 |
L |
G8 |
1 |
42 |
Rob |
193.61 |
0.51 |
0.0013 |
170.0 |
True |
18434 |
15 |
L |
G8 |
1 |
43 |
Rob |
193.94 |
0.68 |
0.0032 |
140.0 |
True |
18434 |
15 |
L |
G8 |
1 |
44 |
Rob |
193.73 |
0.51 |
0.0021 |
160.05 |
True |
18434 |
15 |
L |
G8 |
1 |
45 |
Rob |
193.97 |
0.52 |
0.0009 |
220.05 |
True |
18434 |
15 |
L |
G8 |
1 |
46 |
Rob |
194.02 |
0.43 |
0.0013 |
180.0 |
True |
18434 |
15 |
L |
G8 |
1 |
47 |
Rob |
193.91 |
0.65 |
0.0041 |
150.0 |
True |
18434 |
15 |
L |
G8 |
1 |
48 |
Rob |
194.02 |
0.39 |
0.0005 |
220.0 |
True |
18434 |
15 |
L |
G8 |
1 |
49 |
Rob |
193.84 |
0.47 |
0.0017 |
150.0 |
True |